18381年oechem 47 - 02052009143 d 50 0 1 0 0 0 0 0999 V2000型1.7543 -1.4304 -2.6861 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -1.2622 2.7499 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 0.8795 -1.5973年代0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 0.3238 2.7519 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3728 -1.0327 -0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 0.9148 1.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 2.8642 -0.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9796 0.4906 -0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5706 1.0770 0.6683 N 0 0 0 0 0 0 0 0 0 0 0 0 0.60381.1885 0.7731 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 -0.7215 -0.2674 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 1.9220 -0.1372 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9993 0.0752 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2508 -0.0338 0.0338 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6794 1.8605 1.0216 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7225 0.9759 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 0.9650 -2.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -1.3056 -2.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6855 0.0306 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 1.7591 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 0.9778 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -0.3934 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 1.5068 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -1.4193 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 2.8661 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -1.9574 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -1.8816 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 -2.9519 -0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -2.8761 1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -3.4113 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.9060 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 -0.9552 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 2.8181 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 1.9533 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 1.1128 -3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 0.5102 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -1.2391 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -1.9658 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -1.7995 -2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 0.3341 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3177 -1.0084 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 2.8653 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 3.3115 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 3.5063 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -3.3817 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 -3.2453 2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 -4.1851 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 41 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 40 1 0 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END >
DB00485 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YFAGHNZHGGCZAX-JKIFEVAISA-N/SDF?record_type=3d >
[H] [C@] 12 sc (C) (C) [C@@H] (N1C (= O) [C@H] 2数控(= O) C1 = C (C) = C1C1 = C (Cl) C = CC = C1Cl) C = O (O) = >
InChI = 1 s / C19H17Cl2N3O5S c1-7-10(12(23-29-7) 11 - 8(20) 5-4-6-9(11) 21) 15(25) 22-13-16(26) 24-14(18(27) 28) 19(2、3)30-17 (13)24 / h4-6, 13 - 14日,17 H, 1-3H3, (H, 22日,25)(H, 27日28)/ t13 -, 14 +, 17 - m1 / s1 >
YFAGHNZHGGCZAX-JKIFEVAISA-N >
C19H17Cl2N3O5S >
470.326 >
469.026596773 >
5 >
47 >
-0.9994402201265915 >
42.86277228503599 >
1 >
2 >
0 >
1 >
(2S,5R,6R)-6-[3-(2,6-二氯苯基)-5-甲基-1,2-恶唑-4-氨基]-3,3-二甲基-7-氧-4-硫-1-氮杂环[3.2.0]庚烷-2-羧酸>
3.19 >
2.9057843346666665 >
-4.20 >
0 >
1 >
4 >
1 >
13.64233154203183 >
3.748608753385313 >
-0.7081568099219558 >
112.74 >
111.44189999999999 >
3 >
1 >
2.96e-02 g/l >
mepivacaine >
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